[(2S)-3-(5-acetamido-4-acetyloxy-2-nitro-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate

Systemtic Name: [(2S)-3-(5-acetamido-4-acetyloxy-2-nitro-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate Openeye Name: [(2S)-3-(5-acetamido-4-acetoxy-2-nitro-phenyl)-2-(methoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S)-3-(5-acetamido-4-acetyloxy-2-nitrophenyl)-2-(methoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-(5-acetamido-4-acetyloxy-2-nitrophenyl)-2-(methoxycarbonylamino)propyl] acetate Traditional Name: acetic acid [(2S)-3-(5-acetamido-4-acetoxy-2-nitro-phenyl)-2-(carbomethoxyamino)propyl] ester Formula: C17H21N3O9 MolecularWeight: 411.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)CC(COC(=O)C)NC(=O)OC)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)C[C@@H](COC(=O)C)NC(=O)OC)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C17H21N3O9/c1-9(21)18-14-6-12(15(20(25)26)7-16(14)29-11(3)23)5-13(8-28-10(2)22)19-17(24)27-4/h6-7,13H,5,8H2,1-4H3,(H,18,21)(H,19,24)/t13-/m0/s1